Receptor
PDB id Resolution Class Description Source Keywords
1s38 1.81 Å EC: 2.4.2.29 CRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2-AMINO-8-METHYLQUI 4(3H)-ONE ZYMOMONAS MOBILIS TRANSFERASE
Ref.: SYNTHESIS AND IN VITRO EVALUATION OF 2-AMINOQUINAZOLIN-4(3H)-ONE-BASED INHIBITORS FOR TRNA-GUANINE TRANSGLYCOSYLASE (TGT) HELV.CHIM.ACTA V. 87 1333 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MAQ A:900;
Valid;
none;
Ki = 7 uM
175.187 C9 H9 N3 O Cc1cc...
ZN A:400;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GE7 1.5 Å EC: 2.4.2.29 TRNA-GUANINE TRANSGLYCOSYLASE IN COMPLEX WITH 6-AMINO-4-{2- [(CYCLOPENTYLMETHYL)AMINO]ETHYL}-2-(METHYLAMINO)-1,7-DIHYDRI MIDAZO[4,5-G]QUINAZOLIN-8-ONE ZYMOMONAS MOBILIS DRUG DESIGN TGT TIM BARREL GLYCOSYLTRANSFERASE METAL-BINDQUEUOSINE BIOSYNTHESIS TRANSFERASE TRNA PROCESSING
Ref.: HOW TO REPLACE THE RESIDUAL SOLVATION SHELL OF POLA SITE RESIDUES TO ACHIEVE NANOMOLAR INHIBITION OF TRNA-GUANINE TRANSGLYCOSYLASE CHEMMEDCHEM V. 4 2012 2009
Members (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1ENU Ki = 8.3 uM APZ C8 H7 N3 O2 c1cc2c(cc1....
2 2PWU - GUN C5 H5 N5 O c1[nH]c2c(....
3 4Q4S Kd = 111.6 nM S98 C14 H12 N6 O S c1cc(sc1)C....
4 2QII - PQ0 C7 H5 N5 O c1c(c2c([n....
5 1PXG - PRF C7 H9 N5 O c1c(c2c([n....
6 4KWO Ki = 353 nM 1UD C18 H24 N6 O5 CNc1[nH]c2....
7 2Z7K Ki = 77 nM BGU C9 H8 N6 O c1c2c(cc3c....
8 3SM0 Ki = 740 nM AEK C18 H24 N6 O CNc1[nH]c2....
9 6RKQ Ki = 48 uM K75 C13 H14 N6 CC#C[C@@H]....
10 4Q4P Kd = 407.4 nM 2YO C16 H20 N6 O c1c2c(cc3c....
11 1K4H Ki = 7.7 uM APQ C12 H16 N4 O S CCCSCc1cc(....
12 1EFZ - PRF C7 H9 N5 O c1c(c2c([n....
13 3C2Y Ki = 1.5 uM S60 C10 H9 N5 O Cc1[nH]c2c....
14 1Y5X Ki = 3.7 uM E89 C18 H17 N5 O2 COc1ccc(cc....
15 1R5Y Ki = 0.35 uM DQU C8 H8 N4 O c1cc2c(cc1....
16 3RR4 Ki = 28050 nM HRD C11 H12 N6 O CNc1[nH]c2....
17 3EOU Ki = 97 nM PK3 C12 H14 N6 O2 CNc1[nH]c2....
18 6FMN Kd = 1120 nM E4E C15 H18 N6 O5 CO[C@H]1[C....
19 4Q4Q Kd = 1638.9 nM SAQ C14 H11 N5 O S c1cc(sc1)C....
20 4E2V - PRF C7 H9 N5 O c1c(c2c([n....
21 2Z1X - PRF C7 H9 N5 O c1c(c2c([n....
22 5JXQ Ki = 7 nM 6OK C19 H20 N6 O2 c1cc(ccc1C....
23 1Q66 Ki = 1.7 uM KMB C16 H16 N4 O S c1ccc(cc1)....
24 1N2V Ki = 83 uM BDI C9 H12 N4 O2 CCCCc1[nH]....
25 1Y5W Ki = 6.9 uM NEZ C18 H17 N5 O Cc1ccc(cc1....
26 1Q63 Ki = 1.4 uM AIQ C12 H12 N6 O S c1cnc([nH]....
27 4PUL Kd = 146.1 nM 2WU C10 H10 N6 O CNc1[nH]c2....
28 3GC4 Ki = 25 nM AAQ C19 H21 N7 O CNc1[nH]c2....
29 4LBU Kd = 276 nM 1WJ C18 H24 N6 O5 CNc1[nH]c2....
30 6RKT Ki = 17 uM K7H C10 H12 N6 CNc1[nH]c2....
31 2Z1W - BDI C9 H12 N4 O2 CCCCc1[nH]....
32 1K4G Ki = 1.4 uM AIQ C12 H12 N6 O S c1cnc([nH]....
33 1P0E - PRF C7 H9 N5 O c1c(c2c([n....
34 4LEQ Kd = 288 nM 1WK C17 H22 N6 O5 CNc1[nH]c2....
35 1P0B - PQ0 C7 H5 N5 O c1c(c2c([n....
36 2POT - GUN C5 H5 N5 O c1[nH]c2c(....
37 2QZR Ki = 55 nM S79 C20 H16 N6 O c1ccc2c(c1....
38 4Q4O Kd = 34.3 nM 2YM C16 H21 N7 O c1c2c(cc3c....
39 3S1G Ki = 6500 nM ITE C10 H9 N5 O CNc1[nH]c2....
40 4PUM Kd = 188.1 nM 2WU C10 H10 N6 O CNc1[nH]c2....
41 1S38 Ki = 7 uM MAQ C9 H9 N3 O Cc1cccc2c1....
42 1Q65 Ki = 3.5 uM BHB C13 H19 N5 O S CN(C)CCSCc....
43 3EOS Ki = 4 nM PK2 C19 H27 N7 O CNc1[nH]c2....
44 1F3E Ki = 0.2 uM DPZ C8 H8 N4 O2 c1c(cc(c2c....
45 1Y5V Ki = 1 uM NE8 C17 H15 N5 O c1ccc(cc1)....
46 1OZQ - PRF C7 H9 N5 O c1c(c2c([n....
47 4PUJ Kd = 35 nM CKR C15 H19 N7 O2 c1c2c(cc3c....
48 2BBF Ki = 7.9 uM 344 C9 H7 N5 O c1c2c(cc3c....
49 6FPU Kd = 321 nM E48 C21 H26 N6 O6 CC1(O[C@@H....
50 1S39 Ki = 20 nM AQO C8 H7 N3 O c1ccc2c(c1....
51 3TLL Ki = 40830 nM 62D C12 H14 N6 O CCNC1=Nc2c....
52 4PUK Kd = 52.4 nM 2WU C10 H10 N6 O CNc1[nH]c2....
53 2PWV - PQ0 C7 H5 N5 O c1c(c2c([n....
54 3GC5 Ki = 55 nM 2MQ C12 H15 N7 O CNc1[nH]c2....
55 3GE7 Ki = 2 nM AFQ C18 H25 N7 O CNc1[nH]c2....
56 4Q4R Kd = 369.2 nM SQO C15 H18 N6 O2 c1c2c(cc3c....
57 1Q4W Ki = 0.35 uM DQU C8 H8 N4 O c1cc2c(cc1....
70% Homology Family (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1ENU Ki = 8.3 uM APZ C8 H7 N3 O2 c1cc2c(cc1....
2 2PWU - GUN C5 H5 N5 O c1[nH]c2c(....
3 4Q4S Kd = 111.6 nM S98 C14 H12 N6 O S c1cc(sc1)C....
4 2QII - PQ0 C7 H5 N5 O c1c(c2c([n....
5 1PXG - PRF C7 H9 N5 O c1c(c2c([n....
6 4KWO Ki = 353 nM 1UD C18 H24 N6 O5 CNc1[nH]c2....
7 2Z7K Ki = 77 nM BGU C9 H8 N6 O c1c2c(cc3c....
8 3SM0 Ki = 740 nM AEK C18 H24 N6 O CNc1[nH]c2....
9 6RKQ Ki = 48 uM K75 C13 H14 N6 CC#C[C@@H]....
10 4Q4P Kd = 407.4 nM 2YO C16 H20 N6 O c1c2c(cc3c....
11 1K4H Ki = 7.7 uM APQ C12 H16 N4 O S CCCSCc1cc(....
12 1EFZ - PRF C7 H9 N5 O c1c(c2c([n....
13 3C2Y Ki = 1.5 uM S60 C10 H9 N5 O Cc1[nH]c2c....
14 1Y5X Ki = 3.7 uM E89 C18 H17 N5 O2 COc1ccc(cc....
15 1R5Y Ki = 0.35 uM DQU C8 H8 N4 O c1cc2c(cc1....
16 3RR4 Ki = 28050 nM HRD C11 H12 N6 O CNc1[nH]c2....
17 3EOU Ki = 97 nM PK3 C12 H14 N6 O2 CNc1[nH]c2....
18 6FMN Kd = 1120 nM E4E C15 H18 N6 O5 CO[C@H]1[C....
19 4Q4Q Kd = 1638.9 nM SAQ C14 H11 N5 O S c1cc(sc1)C....
20 4E2V - PRF C7 H9 N5 O c1c(c2c([n....
21 2Z1X - PRF C7 H9 N5 O c1c(c2c([n....
22 5JXQ Ki = 7 nM 6OK C19 H20 N6 O2 c1cc(ccc1C....
23 1Q66 Ki = 1.7 uM KMB C16 H16 N4 O S c1ccc(cc1)....
24 1N2V Ki = 83 uM BDI C9 H12 N4 O2 CCCCc1[nH]....
25 1Y5W Ki = 6.9 uM NEZ C18 H17 N5 O Cc1ccc(cc1....
26 1Q63 Ki = 1.4 uM AIQ C12 H12 N6 O S c1cnc([nH]....
27 4PUL Kd = 146.1 nM 2WU C10 H10 N6 O CNc1[nH]c2....
28 3GC4 Ki = 25 nM AAQ C19 H21 N7 O CNc1[nH]c2....
29 4LBU Kd = 276 nM 1WJ C18 H24 N6 O5 CNc1[nH]c2....
30 6RKT Ki = 17 uM K7H C10 H12 N6 CNc1[nH]c2....
31 2Z1W - BDI C9 H12 N4 O2 CCCCc1[nH]....
32 1K4G Ki = 1.4 uM AIQ C12 H12 N6 O S c1cnc([nH]....
33 1P0E - PRF C7 H9 N5 O c1c(c2c([n....
34 4LEQ Kd = 288 nM 1WK C17 H22 N6 O5 CNc1[nH]c2....
35 1P0B - PQ0 C7 H5 N5 O c1c(c2c([n....
36 2POT - GUN C5 H5 N5 O c1[nH]c2c(....
37 2QZR Ki = 55 nM S79 C20 H16 N6 O c1ccc2c(c1....
38 4Q4O Kd = 34.3 nM 2YM C16 H21 N7 O c1c2c(cc3c....
39 3S1G Ki = 6500 nM ITE C10 H9 N5 O CNc1[nH]c2....
40 4PUM Kd = 188.1 nM 2WU C10 H10 N6 O CNc1[nH]c2....
41 1S38 Ki = 7 uM MAQ C9 H9 N3 O Cc1cccc2c1....
42 1Q65 Ki = 3.5 uM BHB C13 H19 N5 O S CN(C)CCSCc....
43 3EOS Ki = 4 nM PK2 C19 H27 N7 O CNc1[nH]c2....
44 1F3E Ki = 0.2 uM DPZ C8 H8 N4 O2 c1c(cc(c2c....
45 1Y5V Ki = 1 uM NE8 C17 H15 N5 O c1ccc(cc1)....
46 1OZQ - PRF C7 H9 N5 O c1c(c2c([n....
47 4PUJ Kd = 35 nM CKR C15 H19 N7 O2 c1c2c(cc3c....
48 2BBF Ki = 7.9 uM 344 C9 H7 N5 O c1c2c(cc3c....
49 6FPU Kd = 321 nM E48 C21 H26 N6 O6 CC1(O[C@@H....
50 1S39 Ki = 20 nM AQO C8 H7 N3 O c1ccc2c(c1....
51 3TLL Ki = 40830 nM 62D C12 H14 N6 O CCNC1=Nc2c....
52 4PUK Kd = 52.4 nM 2WU C10 H10 N6 O CNc1[nH]c2....
53 2PWV - PQ0 C7 H5 N5 O c1c(c2c([n....
54 3GC5 Ki = 55 nM 2MQ C12 H15 N7 O CNc1[nH]c2....
55 3GE7 Ki = 2 nM AFQ C18 H25 N7 O CNc1[nH]c2....
56 4Q4R Kd = 369.2 nM SQO C15 H18 N6 O2 c1c2c(cc3c....
57 1Q4W Ki = 0.35 uM DQU C8 H8 N4 O c1cc2c(cc1....
50% Homology Family (59)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1ENU Ki = 8.3 uM APZ C8 H7 N3 O2 c1cc2c(cc1....
2 2PWU - GUN C5 H5 N5 O c1[nH]c2c(....
3 4Q4S Kd = 111.6 nM S98 C14 H12 N6 O S c1cc(sc1)C....
4 2QII - PQ0 C7 H5 N5 O c1c(c2c([n....
5 1PXG - PRF C7 H9 N5 O c1c(c2c([n....
6 4KWO Ki = 353 nM 1UD C18 H24 N6 O5 CNc1[nH]c2....
7 2Z7K Ki = 77 nM BGU C9 H8 N6 O c1c2c(cc3c....
8 3SM0 Ki = 740 nM AEK C18 H24 N6 O CNc1[nH]c2....
9 6RKQ Ki = 48 uM K75 C13 H14 N6 CC#C[C@@H]....
10 4Q4P Kd = 407.4 nM 2YO C16 H20 N6 O c1c2c(cc3c....
11 1K4H Ki = 7.7 uM APQ C12 H16 N4 O S CCCSCc1cc(....
12 1EFZ - PRF C7 H9 N5 O c1c(c2c([n....
13 3C2Y Ki = 1.5 uM S60 C10 H9 N5 O Cc1[nH]c2c....
14 1Y5X Ki = 3.7 uM E89 C18 H17 N5 O2 COc1ccc(cc....
15 1R5Y Ki = 0.35 uM DQU C8 H8 N4 O c1cc2c(cc1....
16 3RR4 Ki = 28050 nM HRD C11 H12 N6 O CNc1[nH]c2....
17 3EOU Ki = 97 nM PK3 C12 H14 N6 O2 CNc1[nH]c2....
18 6FMN Kd = 1120 nM E4E C15 H18 N6 O5 CO[C@H]1[C....
19 4Q4Q Kd = 1638.9 nM SAQ C14 H11 N5 O S c1cc(sc1)C....
20 4E2V - PRF C7 H9 N5 O c1c(c2c([n....
21 2Z1X - PRF C7 H9 N5 O c1c(c2c([n....
22 5JXQ Ki = 7 nM 6OK C19 H20 N6 O2 c1cc(ccc1C....
23 1Q66 Ki = 1.7 uM KMB C16 H16 N4 O S c1ccc(cc1)....
24 1N2V Ki = 83 uM BDI C9 H12 N4 O2 CCCCc1[nH]....
25 1Y5W Ki = 6.9 uM NEZ C18 H17 N5 O Cc1ccc(cc1....
26 1Q63 Ki = 1.4 uM AIQ C12 H12 N6 O S c1cnc([nH]....
27 4PUL Kd = 146.1 nM 2WU C10 H10 N6 O CNc1[nH]c2....
28 3GC4 Ki = 25 nM AAQ C19 H21 N7 O CNc1[nH]c2....
29 4LBU Kd = 276 nM 1WJ C18 H24 N6 O5 CNc1[nH]c2....
30 6RKT Ki = 17 uM K7H C10 H12 N6 CNc1[nH]c2....
31 2Z1W - BDI C9 H12 N4 O2 CCCCc1[nH]....
32 1K4G Ki = 1.4 uM AIQ C12 H12 N6 O S c1cnc([nH]....
33 1P0E - PRF C7 H9 N5 O c1c(c2c([n....
34 4LEQ Kd = 288 nM 1WK C17 H22 N6 O5 CNc1[nH]c2....
35 1P0B - PQ0 C7 H5 N5 O c1c(c2c([n....
36 2POT - GUN C5 H5 N5 O c1[nH]c2c(....
37 2QZR Ki = 55 nM S79 C20 H16 N6 O c1ccc2c(c1....
38 4Q4O Kd = 34.3 nM 2YM C16 H21 N7 O c1c2c(cc3c....
39 3S1G Ki = 6500 nM ITE C10 H9 N5 O CNc1[nH]c2....
40 4PUM Kd = 188.1 nM 2WU C10 H10 N6 O CNc1[nH]c2....
41 1S38 Ki = 7 uM MAQ C9 H9 N3 O Cc1cccc2c1....
42 1Q65 Ki = 3.5 uM BHB C13 H19 N5 O S CN(C)CCSCc....
43 3EOS Ki = 4 nM PK2 C19 H27 N7 O CNc1[nH]c2....
44 1F3E Ki = 0.2 uM DPZ C8 H8 N4 O2 c1c(cc(c2c....
45 1Y5V Ki = 1 uM NE8 C17 H15 N5 O c1ccc(cc1)....
46 1OZQ - PRF C7 H9 N5 O c1c(c2c([n....
47 4PUJ Kd = 35 nM CKR C15 H19 N7 O2 c1c2c(cc3c....
48 2BBF Ki = 7.9 uM 344 C9 H7 N5 O c1c2c(cc3c....
49 6FPU Kd = 321 nM E48 C21 H26 N6 O6 CC1(O[C@@H....
50 1S39 Ki = 20 nM AQO C8 H7 N3 O c1ccc2c(c1....
51 3TLL Ki = 40830 nM 62D C12 H14 N6 O CCNC1=Nc2c....
52 4PUK Kd = 52.4 nM 2WU C10 H10 N6 O CNc1[nH]c2....
53 2PWV - PQ0 C7 H5 N5 O c1c(c2c([n....
54 3GC5 Ki = 55 nM 2MQ C12 H15 N7 O CNc1[nH]c2....
55 3GE7 Ki = 2 nM AFQ C18 H25 N7 O CNc1[nH]c2....
56 4Q4R Kd = 369.2 nM SQO C15 H18 N6 O2 c1c2c(cc3c....
57 1Q4W Ki = 0.35 uM DQU C8 H8 N4 O c1cc2c(cc1....
58 6H42 - GGL C5 H9 N O4 C(CC(=O)O)....
59 6H45 - QEI C12 H15 N5 O3 c1c(c2c([n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MAQ; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 MAQ 1 1
2 0RU 0.430769 0.647059
Similar Ligands (3D)
Ligand no: 1; Ligand: MAQ; Similar ligands found: 842
No: Ligand Similarity coefficient
1 B60 1.0000
2 MUA 0.9806
3 PE0 0.9780
4 AQO 0.9769
5 9MG 0.9766
6 M6N 0.9748
7 DPZ 0.9737
8 AZ8 0.9736
9 0P6 0.9733
10 M1Q 0.9732
11 M5K 0.9731
12 BGC 0.9728
13 UNC 0.9725
14 Q24 0.9725
15 32X 0.9724
16 G3F 0.9723
17 AJ2 0.9720
18 8CM 0.9717
19 TOF 0.9712
20 J9W 0.9704
21 4HC 0.9695
22 KUF 0.9691
23 GCS 0.9691
24 MEW 0.9690
25 CWS 0.9687
26 8S0 0.9646
27 DRL 0.9639
28 7VJ 0.9637
29 DHQ 0.9623
30 FOT 0.9622
31 Q7A 0.9622
32 NDM 0.9615
33 ZVO 0.9615
34 AJV 0.9610
35 2AK 0.9605
36 B62 0.9594
37 IJZ 0.9593
38 0FO 0.9588
39 GLC 0.9577
40 XHP 0.9577
41 QX4 0.9574
42 BEA 0.9569
43 C2U 0.9564
44 N8Y 0.9562
45 UAN 0.9557
46 5WX 0.9536
47 JBQ 0.9533
48 6ME 0.9533
49 DQU 0.9532
50 HJP 0.9531
51 7VS 0.9523
52 BDP 0.9523
53 M0W 0.9516
54 NTZ 0.9515
55 3WA 0.9513
56 3Z8 0.9512
57 AZ9 0.9509
58 JUG 0.9508
59 6VD 0.9506
60 FLV 0.9502
61 226 0.9500
62 OTW 0.9498
63 0N7 0.9496
64 QBK 0.9495
65 4MU 0.9495
66 1NP 0.9495
67 HQD 0.9491
68 5RG 0.9488
69 680 0.9481
70 GAL 0.9480
71 44V 0.9477
72 SHG 0.9474
73 ES1 0.9473
74 AZA 0.9472
75 1LM 0.9470
76 44W 0.9467
77 URC 0.9467
78 GUN 0.9466
79 1SQ 0.9460
80 HQY 0.9459
81 IGA 0.9458
82 18N 0.9457
83 TEP 0.9454
84 5SG 0.9453
85 5Q0 0.9451
86 1P7 0.9448
87 24W 0.9444
88 MO8 0.9443
89 X8D 0.9442
90 9DG 0.9441
91 2HQ 0.9440
92 7B3 0.9439
93 COU 0.9438
94 OCH 0.9437
95 JBH 0.9436
96 4YS 0.9433
97 86J 0.9431
98 VK3 0.9431
99 1LQ 0.9430
100 PYQ 0.9430
101 5IQ 0.9428
102 DIU 0.9428
103 JPZ 0.9426
104 CLZ 0.9423
105 B57 0.9421
106 FDB 0.9421
107 MVN 0.9421
108 GTQ 0.9420
109 6CS 0.9420
110 G1O 0.9418
111 D07 0.9418
112 N5J 0.9416
113 ISN 0.9410
114 NQ 0.9410
115 6BL 0.9403
116 KJY 0.9403
117 2AQ 0.9400
118 APZ 0.9398
119 Q77 0.9396
120 KT7 0.9394
121 1XN 0.9394
122 ADZ 0.9393
123 E7Z 0.9392
124 RXA 0.9388
125 LGC 0.9388
126 141 0.9387
127 XAN 0.9387
128 03V 0.9384
129 12B 0.9384
130 G12 0.9379
131 5M0 0.9379
132 LKA 0.9377
133 4FS 0.9376
134 3IT 0.9375
135 G3E 0.9374
136 CFF 0.9374
137 12Q 0.9372
138 B53 0.9370
139 1KP 0.9369
140 CFP 0.9367
141 BOA 0.9367
142 GXY 0.9366
143 XAZ 0.9366
144 54G 0.9365
145 B55 0.9364
146 JB5 0.9363
147 EA1 0.9363
148 0W8 0.9363
149 3PF 0.9361
150 7ZE 0.9359
151 4VS 0.9359
152 PRF 0.9355
153 2ZQ 0.9353
154 O72 0.9351
155 5WY 0.9350
156 ES5 0.9349
157 A2F 0.9348
158 8TX 0.9348
159 HLZ 0.9348
160 4KL 0.9347
161 HQT 0.9343
162 75K 0.9342
163 I3A 0.9337
164 DX4 0.9333
165 7NI 0.9330
166 BTY 0.9328
167 PQ0 0.9327
168 5B1 0.9326
169 PXL 0.9326
170 5MK 0.9325
171 BCP 0.9325
172 KKN 0.9324
173 4XH 0.9324
174 DBJ 0.9323
175 3HA 0.9323
176 7W4 0.9322
177 4Z4 0.9318
178 HH8 0.9315
179 5NE 0.9311
180 9KT 0.9310
181 Q6T 0.9306
182 5QX 0.9305
183 NID 0.9305
184 M1E 0.9303
185 290 0.9301
186 H42 0.9300
187 5JQ 0.9299
188 OA3 0.9297
189 UEG 0.9297
190 A7W 0.9296
191 7B4 0.9296
192 UFO 0.9294
193 YH7 0.9294
194 SRO 0.9293
195 M1H 0.9293
196 RM1 0.9292
197 ORO 0.9290
198 TTL 0.9290
199 R8V 0.9288
200 YSO 0.9288
201 92K 0.9288
202 SVN 0.9286
203 7ME 0.9284
204 SX1 0.9280
205 NOJ 0.9277
206 LZM 0.9277
207 3F0 0.9274
208 SE2 0.9273
209 EJZ 0.9272
210 HHR 0.9269
211 GCU 0.9268
212 OXC 0.9268
213 PH2 0.9267
214 G6D 0.9265
215 7W1 0.9264
216 G5V 0.9262
217 ICO 0.9262
218 2FQ 0.9261
219 1XM 0.9260
220 EQT 0.9260
221 5QY 0.9259
222 7HQ 0.9258
223 495 0.9258
224 42C 0.9255
225 3M0 0.9252
226 209 0.9252
227 PFB 0.9251
228 6AP 0.9250
229 KJH 0.9249
230 JBK 0.9247
231 6M9 0.9245
232 42A 0.9244
233 D48 0.9244
234 DIN 0.9244
235 MT0 0.9243
236 5OB 0.9242
237 3MG 0.9242
238 XXR 0.9239
239 8IG 0.9238
240 ES7 0.9238
241 AJY 0.9238
242 5WV 0.9237
243 9TZ 0.9235
244 LT2 0.9235
245 6GU 0.9234
246 Q71 0.9232
247 H33 0.9230
248 37T 0.9230
249 AZG 0.9229
250 ISE 0.9226
251 AKH 0.9225
252 LI6 0.9225
253 PXM 0.9223
254 5RO 0.9222
255 8HC 0.9220
256 J5I 0.9219
257 DBH 0.9217
258 M0Q 0.9214
259 EVA 0.9212
260 SOR 0.9212
261 FDR 0.9210
262 39A 0.9210
263 N2I 0.9209
264 WOO 0.9208
265 INE 0.9208
266 0FK 0.9208
267 2D0 0.9208
268 DOR 0.9205
269 0CU 0.9204
270 4JQ 0.9202
271 25W 0.9200
272 JXN 0.9198
273 39O 0.9195
274 FE DB1 0.9195
275 XQ0 0.9195
276 MWP 0.9194
277 GCB 0.9193
278 SKA 0.9193
279 MRW 0.9193
280 4AN 0.9190
281 LSA 0.9189
282 AEZ 0.9189
283 ALL 0.9187
284 3ID 0.9186
285 V55 0.9185
286 IV2 0.9181
287 4ME 0.9181
288 HH5 0.9180
289 2EC 0.9179
290 PRZ 0.9178
291 0RW 0.9178
292 ZYR 0.9178
293 F05 0.9176
294 GIM 0.9173
295 HKD 0.9171
296 5NS 0.9171
297 6M4 0.9169
298 HZQ 0.9167
299 A29 0.9166
300 2H5 0.9165
301 3DO 0.9164
302 VNL 0.9164
303 I6G 0.9164
304 M1A 0.9164
305 5JL 0.9164
306 CTS 0.9163
307 9EW 0.9162
308 34D 0.9159
309 BPU 0.9159
310 PHH 0.9158
311 GRE 0.9155
312 QUZ 0.9155
313 4JT 0.9153
314 MQN 0.9152
315 DMD 0.9151
316 4M4 0.9151
317 5RN 0.9150
318 0XT 0.9149
319 4CS 0.9148
320 CWM 0.9147
321 6M1 0.9146
322 8XQ 0.9146
323 BHO 0.9145
324 HNQ 0.9145
325 ROI 0.9143
326 AW5 0.9141
327 F5B 0.9141
328 8GC 0.9141
329 LDR 0.9138
330 EXO 0.9137
331 DNC 0.9136
332 PEY 0.9135
333 SWA 0.9134
334 1WG 0.9132
335 67N 0.9131
336 NPY 0.9131
337 Q88 0.9130
338 FA0 0.9129
339 MVL 0.9126
340 6F0 0.9124
341 2ZV 0.9123
342 TTY 0.9120
343 KIB 0.9119
344 M2K 0.9118
345 0TU 0.9116
346 20J 0.9115
347 TBS 0.9114
348 GOX 0.9114
349 HLR 0.9113
350 KJU 0.9113
351 QPR 0.9111
352 HHA 0.9110
353 82I 0.9110
354 9R5 0.9110
355 SAL 0.9106
356 ES0 0.9103
357 BZ3 0.9102
358 4AA 0.9100
359 4M0 0.9099
360 F0J 0.9098
361 SWD 0.9096
362 CTL 0.9095
363 DX3 0.9095
364 K17 0.9094
365 B56 0.9094
366 BZX 0.9093
367 8ZE 0.9092
368 HTP 0.9089
369 JAE 0.9087
370 DOB 0.9086
371 FBB 0.9085
372 KDV 0.9085
373 3HB 0.9085
374 K32 0.9083
375 4YO 0.9081
376 8WT 0.9081
377 TIY 0.9080
378 9AP 0.9079
379 BTE 0.9079
380 JU2 0.9078
381 2CQ 0.9078
382 5CU 0.9077
383 SXS 0.9076
384 INS 0.9073
385 Z5P 0.9072
386 B5D 0.9070
387 NDH 0.9070
388 GCW 0.9070
389 8W9 0.9070
390 GAB 0.9069
391 2KA 0.9069
392 GOG 0.9067
393 5NU 0.9063
394 SYV 0.9062
395 JG8 0.9062
396 PHT 0.9062
397 GYE 0.9060
398 TT4 0.9059
399 SYA 0.9058
400 15N 0.9058
401 PX7 0.9051
402 HFB 0.9051
403 DQN 0.9050
404 XYP 0.9047
405 0JD 0.9047
406 173 0.9046
407 RAM 0.9044
408 5XC 0.9041
409 3AB 0.9039
410 XQG 0.9038
411 HPA 0.9038
412 64C 0.9038
413 6MP 0.9036
414 DBX 0.9034
415 ADK 0.9033
416 53C 0.9031
417 BHA 0.9029
418 BE2 0.9026
419 NMJ 0.9025
420 150 0.9025
421 14O 0.9025
422 5H1 0.9023
423 DNF 0.9023
424 M5N 0.9020
425 TH7 0.9017
426 RPQ 0.9017
427 MR1 0.9017
428 K2T 0.9014
429 PDC 0.9012
430 2AL 0.9012
431 EYK 0.9011
432 A13 0.9011
433 FYU 0.9009
434 BK9 0.9007
435 5HN 0.9006
436 GDE 0.9006
437 9FL 0.9005
438 KIA 0.9003
439 F12 0.9003
440 2LY 0.9002
441 1DW 0.9001
442 GJS 0.8999
443 D1X 0.8997
444 KYA 0.8997
445 FBG 0.8997
446 GM7 0.8996
447 F60 0.8996
448 MHK 0.8996
449 NTM 0.8996
450 5MB 0.8992
451 4TU 0.8991
452 3U4 0.8991
453 ZZ8 0.8990
454 3NT 0.8988
455 OVV 0.8988
456 ADE 0.8988
457 GTZ 0.8986
458 7WA 0.8986
459 H5B 0.8985
460 3MB 0.8985
461 QAS 0.8985
462 1U6 0.8983
463 3DM 0.8982
464 5GU 0.8981
465 BP1 0.8980
466 3RK 0.8979
467 JKE 0.8978
468 10L 0.8978
469 GVG 0.8978
470 HMH 0.8977
471 GZ8 0.8977
472 1X7 0.8976
473 9DA 0.8976
474 WCE 0.8975
475 K22 0.8975
476 OVM 0.8974
477 J9T 0.8974
478 QAT 0.8973
479 5CL 0.8971
480 9HX 0.8971
481 TWO 0.8970
482 AHR 0.8970
483 GLA 0.8969
484 28N 0.8968
485 6AI 0.8968
486 GT0 0.8967
487 BMA 0.8965
488 ET2 0.8964
489 8WO 0.8960
490 1P8 0.8960
491 ES2 0.8960
492 5WU 0.8959
493 TGX 0.8959
494 ESI 0.8959
495 VGD 0.8958
496 F4Z 0.8957
497 PCI 0.8957
498 FSW 0.8954
499 ES9 0.8952
500 2K8 0.8949
501 GIO 0.8949
502 BRT 0.8948
503 JXW 0.8947
504 G2F 0.8947
505 3BZ 0.8947
506 LZ2 0.8946
507 ZZZ 0.8946
508 X05 0.8946
509 2CK 0.8945
510 92P 0.8945
511 2K4 0.8944
512 HMU 0.8944
513 CH9 0.8943
514 ODO 0.8940
515 K6X 0.8940
516 KLW 0.8940
517 5MI 0.8940
518 4SV 0.8939
519 ES6 0.8939
520 TC7 0.8938
521 MS9 0.8938
522 SHA 0.8937
523 3R6 0.8937
524 C2Y 0.8935
525 4NC 0.8933
526 YQA 0.8933
527 MT8 0.8933
528 FK1 0.8932
529 DNA 0.8932
530 94W 0.8932
531 45C 0.8931
532 GCV 0.8931
533 ASO 0.8930
534 15E 0.8928
535 TSS 0.8927
536 06B 0.8927
537 7WV 0.8925
538 CLW 0.8924
539 BCF 0.8922
540 7HP 0.8922
541 KBG 0.8921
542 ES4 0.8920
543 SOE 0.8918
544 36R 0.8917
545 30G 0.8915
546 H4N 0.8913
547 JTH 0.8913
548 DHK 0.8912
549 0FN 0.8912
550 9CA 0.8912
551 11S 0.8911
552 AIN 0.8908
553 MAN 0.8907
554 X0W 0.8906
555 091 0.8906
556 1WD 0.8902
557 HHS 0.8901
558 FBT 0.8901
559 329 0.8901
560 23A 0.8898
561 3Z7 0.8898
562 ZZT 0.8898
563 HA5 0.8897
564 537 0.8896
565 4RU 0.8896
566 BBF 0.8895
567 GJP 0.8891
568 HA7 0.8890
569 UQ 0.8890
570 1IT 0.8889
571 8OZ 0.8889
572 IFL 0.8889
573 7MU 0.8888
574 X09 0.8888
575 IBM 0.8885
576 4ZC 0.8885
577 8GK 0.8885
578 8MO 0.8884
579 E1T 0.8883
580 2BG 0.8883
581 PM6 0.8882
582 FBU 0.8882
583 8H8 0.8881
584 3FH 0.8881
585 ABV 0.8877
586 OW4 0.8875
587 5VM 0.8874
588 GTR 0.8873
589 BCU 0.8873
590 NVU 0.8872
591 ASC 0.8871
592 3NY 0.8869
593 HIS 0.8868
594 J9Q 0.8868
595 7MX 0.8867
596 GZL 0.8867
597 I1N 0.8866
598 0HO 0.8865
599 7WR 0.8864
600 1HN 0.8864
601 CWJ 0.8862
602 3J8 0.8861
603 5VL 0.8861
604 24B 0.8861
605 F31 0.8860
606 DEE 0.8860
607 F9Y 0.8860
608 BSP 0.8860
609 K8X 0.8859
610 SKM 0.8859
611 3GQ 0.8854
612 IBF 0.8854
613 F3B 0.8850
614 2ZM 0.8849
615 AA 0.8849
616 23J 0.8848
617 RMN 0.8842
618 FP1 0.8841
619 0F9 0.8835
620 8NY 0.8835
621 T6C 0.8833
622 582 0.8833
623 FGZ 0.8826
624 P9P 0.8825
625 NCT 0.8825
626 M4E 0.8824
627 R9Y 0.8822
628 XM0 0.8821
629 INO 0.8818
630 M3S 0.8816
631 R6T 0.8815
632 4A3 0.8814
633 EUG 0.8814
634 6RQ 0.8814
635 L7T 0.8813
636 DHB 0.8812
637 0HN 0.8812
638 MMA 0.8812
639 9FE 0.8811
640 1F1 0.8810
641 XX2 0.8810
642 MYJ 0.8809
643 HLD 0.8808
644 6NT 0.8805
645 97T 0.8805
646 E35 0.8805
647 BNT 0.8804
648 5VJ 0.8803
649 AMG 0.8800
650 DIE 0.8800
651 MIG 0.8798
652 MBG 0.8798
653 NIZ 0.8797
654 NNO 0.8796
655 2HU 0.8796
656 GLT 0.8795
657 MT5 0.8794
658 KGK 0.8793
659 VXX 0.8790
660 KTW 0.8790
661 3QV 0.8789
662 069 0.8787
663 0LH 0.8787
664 2SX 0.8786
665 GOO 0.8785
666 L99 0.8785
667 3A9 0.8784
668 3MA 0.8780
669 CKA 0.8780
670 27B 0.8778
671 FHB 0.8777
672 9PY 0.8777
673 JFD 0.8776
674 JF2 0.8776
675 VOH 0.8775
676 NLA 0.8775
677 NSP 0.8775
678 JR2 0.8775
679 JBE 0.8774
680 LNR 0.8772
681 344 0.8770
682 ISZ 0.8769
683 XIY 0.8768
684 FRU 0.8767
685 93K 0.8766
686 HXX 0.8765
687 1GN 0.8764
688 CHB 0.8762
689 2HO 0.8761
690 GAF 0.8761
691 AX7 0.8757
692 NOY 0.8754
693 JLZ 0.8751
694 MFU 0.8750
695 ZWZ 0.8750
696 KBB 0.8750
697 2MN 0.8750
698 9TW 0.8749
699 67X 0.8748
700 1P3 0.8748
701 QWN 0.8748
702 3HM 0.8748
703 5NI 0.8746
704 EN1 0.8746
705 IPB 0.8742
706 6NI 0.8741
707 OVP 0.8740
708 V1T 0.8739
709 HQJ 0.8738
710 C9E 0.8735
711 JXZ 0.8733
712 X6X 0.8731
713 270 0.8731
714 K5W 0.8729
715 JYB 0.8727
716 ABI 0.8724
717 PJW 0.8723
718 CFI 0.8723
719 4HM 0.8723
720 PD2 0.8719
721 KFH 0.8719
722 GV9 0.8719
723 SLS 0.8719
724 52C 0.8717
725 LDP 0.8717
726 51R 0.8717
727 DRG 0.8715
728 6X9 0.8715
729 S76 0.8715
730 DEN 0.8715
731 JKZ 0.8714
732 TXW 0.8713
733 2A9 0.8710
734 0GZ 0.8710
735 XM5 0.8710
736 JIF 0.8710
737 QSH 0.8707
738 EKZ 0.8706
739 1M2 0.8706
740 L5V 0.8705
741 39U 0.8704
742 THA 0.8704
743 TVP 0.8703
744 JZ3 0.8703
745 AY4 0.8702
746 9ZE 0.8700
747 ANF 0.8697
748 PHE 0.8697
749 O2A 0.8697
750 AP4 0.8696
751 KIF 0.8694
752 HBO 0.8693
753 QWW 0.8690
754 MXX 0.8690
755 VNJ 0.8688
756 HX3 0.8687
757 7MH 0.8684
758 UFV 0.8684
759 1QP 0.8683
760 2F6 0.8682
761 JA8 0.8680
762 JAW 0.8679
763 P92 0.8678
764 IHB 0.8677
765 F2W 0.8675
766 3SK 0.8673
767 3OC 0.8671
768 8NX 0.8671
769 GNM 0.8670
770 QX2 0.8670
771 0TR 0.8669
772 K37 0.8666
773 FDK 0.8666
774 SJ5 0.8665
775 QQQ 0.8662
776 2MI 0.8661
777 TQU 0.8660
778 FBW 0.8658
779 JF1 0.8657
780 QXW 0.8652
781 TDR 0.8652
782 D3M 0.8652
783 IND 0.8650
784 IFP 0.8645
785 6OT 0.8645
786 EGR 0.8644
787 E7R 0.8641
788 S3B 0.8639
789 F1A 0.8636
790 2JK 0.8636
791 2FY 0.8636
792 FBV 0.8634
793 TFU 0.8634
794 QSB 0.8627
795 FB1 0.8626
796 XBZ 0.8626
797 ONR 0.8623
798 EOL 0.8623
799 XCZ 0.8622
800 1A7 0.8621
801 EV0 0.8621
802 OTD 0.8620
803 P3K 0.8619
804 R8S 0.8615
805 X0V 0.8614
806 DK1 0.8612
807 L3Q 0.8611
808 ZZ3 0.8611
809 DMJ 0.8611
810 68A 0.8606
811 4VY 0.8605
812 DPT 0.8604
813 0W1 0.8603
814 BPY 0.8602
815 JND 0.8601
816 PBA 0.8599
817 64E 0.8599
818 CK2 0.8597
819 CB1 0.8590
820 PA1 0.8588
821 FBM 0.8586
822 F81 0.8586
823 4XV 0.8585
824 NK 0.8584
825 5TY 0.8582
826 MPI 0.8581
827 275 0.8581
828 6E8 0.8579
829 FH2 0.8578
830 7I2 0.8566
831 LCN 0.8563
832 2MP 0.8561
833 34A 0.8556
834 JDN 0.8554
835 AN3 0.8551
836 JB8 0.8539
837 60Q 0.8539
838 CBF 0.8526
839 M6Z 0.8526
840 CN0 0.8521
841 4XS 0.8515
842 N0Z 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3GE7; Ligand: AFQ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3ge7.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3GE7; Ligand: AFQ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3ge7.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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